Cas no 490-58-4 (4,7(1H,8H)-Pteridinedione,2-amino-6-(1,2-dihydroxypropyl)- (9CI))
490-58-4 structure
Product Name:4,7(1H,8H)-Pteridinedione,2-amino-6-(1,2-dihydroxypropyl)- (9CI)
CAS No:490-58-4
MF:C9H11N5O4
MW:253.214740991592
CID:332497
PubChem ID:135449065
Update Time:2025-04-19
4,7(1H,8H)-Pteridinedione,2-amino-6-(1,2-dihydroxypropyl)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 4,7(1H,8H)-Pteridinedione,2-amino-6-(1,2-dihydroxypropyl)- (9CI)
- 2-Amino-6-(1,2-dihydroxypropyl)-4,7(1H,8H)-pteridinedione
- Fluorescyanine
- Ichthyopterin
- SCHEMBL3128126
- L439K72Y5X
- DTXSID901036281
- 490-58-4
- 4,7(1H,8H)-Pteridinedione, 2-amino-6-(1,2-dihydroxypropyl)-
- Q27282672
- Ichthyopterin [MI]
- UNII-L439K72Y5X
-
- Inchi： 1S/C9H11N5O4/c1-2(15)5(16)3-7(17)12-6-4(11-3)8(18)14-9(10)13-6/h2,5,15-16H,1H3,(H4,10,12,13,14,17,18)
- InChI Key： IZMMJLZUJAZKES-UHFFFAOYSA-N
- SMILES： OC(C1C(NC2=C(C(NC(N)=N2)=O)N=1)=O)C(C)O
Computed Properties
- Exact Mass: 253.08123
- Monoisotopic Mass: 253.08110385g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 521
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -2.4
- Topological Polar Surface Area: 149?2
Experimental Properties
- PSA: 149.4
4,7(1H,8H)-Pteridinedione,2-amino-6-(1,2-dihydroxypropyl)- (9CI) Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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